🧪 TESTS: Enable them and fix (#16)

defaults/main.yml

@@ -195,11 +195,16 @@ siesta_psml_pps_src_archive: "{{ siesta_psml_pps_src }}.tar.gz"
 siesta_psml_pps_code_folder: "/tmp"
 siesta_psml_pps_url: "https://gitlab.com/garalb/psml-files/-/archive/{{ siesta_psml_pps_version }}/{{ siesta_psml_pps_src_archive }}"
 
-#
-#  Tests. Just a few
-#
+# there is currently a bug that results in tests failing due to insignificant diffs
+# https://bugs.launchpad.net/siesta/+bug/1725813
+# therefore by default we only test that the runs complete, and do not check them against the expected output
+siesta_test_type: completed  # check
+
+# Note: running all tests would take of the order of 1h
+
 siesta_tests:
 - h2o
+- h2o-psml
 - mno_ldau
 
 siesta_lua_tests:

molecule/default/converge.yml

@@ -1,15 +1,5 @@
 - name: Converge
   hosts: all
 
-  pre_tasks:
-  - name: Update apt cache.
-    apt:
-      update_cache: yes
-      cache_valid_time: 600
-    when: ansible_os_family == 'Debian'
-
-  vars:
-    run_tests: false
-
   roles:
   - role: marvel-nccr.siesta

tasks/main.yml

@@ -8,6 +8,8 @@
 - name: Install siesta dependencies
   become: true
   apt:
+    update_cache: true
+    cache_valid_time: 86400
     name:
     - gfortran
     - make

tasks/psml-pps.yml

@@ -36,3 +36,12 @@
     mode: "0755"
     recurse: true
   when: psml_pps_extract.changed
+
+- name: Add release notes (pmsl)
+  include_role:
+    name: release_notes
+  vars:
+    section: "siesta"
+    option: "pps"
+    value: "PSML pseudopotentials have been downloaded to: {{ siesta_data_folder }}"
+  when: release_notes is defined and release_notes

tasks/siesta-tests.yml

@@ -0,0 +1,49 @@
+- name: Install siesta test dependencies
+  become: true
+  apt:
+    name:
+    - ssh
+
+- name: Set of tests
+  set_fact:
+    siesta_all_tests: "{{ siesta_tests }}"
+
+- name: Include Lua tests
+  set_fact:
+    siesta_all_tests: "{{ siesta_tests + siesta_lua_tests }}"
+  when: siesta_enable_flook | bool
+
+# Writing a file to indicate tests have passed ensures they are still run on re-runs of the role,
+# if the tests failed on the previous run (in this case siesta_make may not have changed)
+
+- name: Remove test pass indicator
+  when: siesta_make.changed
+  file:
+    path: "{{ siesta_topdir }}/Obj/Tests/TESTS_PASSED"
+    state: absent
+
+- name: Read test pass indicator
+  stat:
+    path: "{{ siesta_topdir }}/Obj/Tests/TESTS_PASSED"
+  register: siesta_tests_passed
+
+# Use --oversubscribe in case there is only one core in the virtual machine...
+# use --allow-run-as-root for when running in test docker
+- name: Run siesta tests (type={{ siesta_test_type }})
+  when: not siesta_tests_passed.stat.exists
+  shell: make clean; make MPI='mpirun --allow-run-as-root --oversubscribe -np {{ siesta_build_cpus }}' {{ siesta_test_type }}
+  args:
+    chdir: "{{ siesta_topdir }}/Obj/Tests/{{ item }}"
+  with_items: "{{ siesta_all_tests }}"
+  tags: tests
+
+- name: Write test pass indicator
+  file:
+    path: "{{ siesta_topdir }}/Obj/Tests/TESTS_PASSED"
+    state: touch
+    modification_time: preserve
+    access_time: preserve
+
+# fails (return code != 0), if "Test Failed." is found
+# - name: check siesta test results
+#   command: grep -vFxq "Test Failed." "{{ siesta_topdir }}/build/Testing/Temporary/LastTest.log"

tasks/siesta.yml

@@ -33,16 +33,6 @@
     creates: "{{ siesta_topdir }}/Obj/siesta"
   register: siesta_make
 
-- import_tasks: tests.yml
-
-- name: Install siesta executable
-  become: true
-  copy:
-    src: "{{ siesta_topdir }}/Obj/siesta"
-    dest: "{{ siesta_prefix }}/bin"
-    remote_src: true
-    mode: '0755'
-
 # This is needed to find the shared libs (notably libgridxc)
 
 - name: add dynamic library path config
@@ -57,6 +47,17 @@
   command: ldconfig
   when: ld_conf.changed
 
+- import_tasks: siesta-tests.yml
+  when: run_tests is defined and run_tests
+
+- name: Install siesta executable
+  become: true
+  copy:
+    src: "{{ siesta_topdir }}/Obj/siesta"
+    dest: "{{ siesta_prefix }}/bin"
+    remote_src: true
+    mode: '0755'
+
 - name: Add release notes (version)
   include_role:
     name: release_notes